4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide

C24H33NO3 — CID 17141359

IUPAC4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-23-12-10-11-21(18-23)25-24(26)20-13-15-22(16-14-20)28-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H,25,26)
InChIKeyZOSRLTACYSFVCV-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.47
Rot. Bonds12

About 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide

4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide (PubChem CID 17141359) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
PubChem CID17141359
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-23-12-10-11-21(18-23)25-24(26)20-13-15-22(16-14-20)28-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H,25,26)
InChIKeyZOSRLTACYSFVCV-UHFFFAOYSA-N
XLogP6.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide (CID 17141359) is 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide is CCCCCCCOc1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide?
The InChIKey is ZOSRLTACYSFVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-23-12-10-11-21(18-23)25-24(26)20-13-15-22(16-14-20)28-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H,25,26).
What are the key properties of 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide?
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide has a molecular weight of 383.53 g/mol, XLogP of 6.47, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide is sourced from PubChem (CID 17141359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).